Information card for entry 4066593

Structure parameters

• Formula: C30 H38 N4 O4 Pd2
• Calculated formula: C30 H38 N4 O4 Pd2
• SMILES: C1(=O)c2c(cccc2)[N]2=C(C=C(O[Pd]12[N](C)(C)CC[N](C)(C)[Pd]12[N](c3c(C1=O)cccc3)=C(C=C(O2)C)C)C)C
• Title of publication: Reactivity ofortho-β-Enaminone-phenyl Palladium Complexes. Insertion of CO into the Pd−C Bond to Give the First Acyl C,N,O-Pincer Complexes. Sequential Insertion of Dimethylacetylenedicarboxylate into the Enaminone C−H Bond and of Isocyanide into the Pd−C Bond. A New Photooxigenation/Cyclization Process†
• Authors of publication: Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio Jesús; Abellán-López, Antonio; Bautista, Delia
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5693
• a: 7.3382 ± 0.0004 Å
• b: 9.4824 ± 0.0006 Å
• c: 11.2464 ± 0.0007 Å
• α: 100.191 ± 0.002°
• β: 97.345 ± 0.002°
• γ: 107.542 ± 0.002°
• Cell volume: 720.59 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0181
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections included in the refinement: 0.0482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No